50

C          2.25040       -8.91250       -3.81480
C          2.86210       -8.32570       -4.90770
C          2.91010       -6.95020       -5.01810
C          2.34320       -6.15520       -4.02920
C          1.73480       -6.74830       -2.92940
C          1.68480       -8.12450       -2.82900
S          2.40200       -4.39950       -4.16580
C          1.55300       -3.81450       -2.67330
C          1.53220       -2.28460       -2.66490
N          0.84650       -1.81220       -1.45960
C          0.70740       -0.49010       -1.23790
O          1.15000        0.30850       -2.03620
C          0.00210       -0.00410        0.00200
C         -0.01870        1.52580        0.01040
C         -0.73480        2.01920        1.26920
C         -0.75560        3.54900        1.27760
C         -1.47170        4.04240        2.53640
H         -0.84170        3.57660        3.30840
C         -1.40490        5.58100        2.64510
H         -0.56530        5.81520        3.31610
C         -2.70230        6.21900        3.15070
H         -2.52710        6.78000        4.08050
C         -3.81960        5.19710        3.45180
S         -3.29210        3.76430        2.41520
N         -3.12990        7.08620        2.04140
C         -2.24240        6.98640        1.04220
O         -2.34870        7.59840       -0.00300
N         -1.22710        6.15070        1.30000
H          2.21400       -9.98870       -3.73130
H          3.30240       -8.94420       -5.67580
H          3.38790       -6.49270       -5.87180
H          1.29720       -6.13350       -2.15670
H          1.20760       -8.58620       -1.97710
H          0.52100       -4.19530       -2.66540
H          2.08510       -4.17890       -1.78210
H          2.56420       -1.90380       -2.67270
H          1.00020       -1.92020       -3.55610
H          0.44520       -2.53650       -0.73550
H         -1.02990       -0.38490        0.00990
H          0.53420       -0.36850        0.89320
H          1.01330        1.90660        0.00260
H         -0.55070        1.89020       -0.88080
H         -1.76680        1.63840        1.27700
H         -0.20280        1.65480        2.16040
H          0.27640        3.92980        1.26980
H         -1.28760        3.91340        0.38640
H         -3.83240        4.97460        4.52900
H         -4.79120        5.61730        3.15270
H         -4.05230        7.67880        2.13060
H         -0.35760        5.86230        0.69110